SCHEMBL21552293

SCHEMBL21552293

Nc1cc(Cl)cc(F)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 2/20 0.43
ALOX15 P16050 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
IDO1 P14902 1/20 0.42
CYP3A4 P08684 5/20 0.40
TSHR P16473 3/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.37
THRB P10828 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
TP53 P04637 2/20 0.36
ERN1 O75460 2/20 0.34
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10884338 0.82 ALDH1A1 (0.52) ALDH1A1HSD17B10ALOX15SMN1; SMN2HPGD
SCHEMBL1418178 0.82 TSHR (0.50) ALDH1A1HSD17B10ALOX15SMN1; SMN2HPGD
SCHEMBL31213266 0.75 CYP3A4 (0.40) ALDH1A1HSD17B10ALOX15SMN1; SMN2HPGD
SCHEMBL405700 0.75 CYP3A4 (0.40) ALDH1A1HSD17B10ALOX15SMN1; SMN2HPGD
SCHEMBL1466981 0.75 CYP3A4 (0.40) ALDH1A1HSD17B10ALOX15SMN1; SMN2HPGD
SCHEMBL4214817 0.75 HSD17B10 (0.65) ALDH1A1HSD17B10ALOX15SMN1; SMN2HPGD
SCHEMBL104581 0.75 ERN1 (0.46) ALDH1A1IDO1CA1ERN1GAA
SCHEMBL2253709 0.75 TSHR (0.65) ALDH1A1HSD17B10ALOX15SMN1; SMN2HPGD
SCHEMBL13681641 0.75 ALDH1A1 (0.46) ALDH1A1HSD17B10ALOX15SMN1; SMN2HPGD
SCHEMBL1398086 0.74 CYP3A4 (0.50) ALDH1A1HSD17B10ALOX15SMN1; SMN2HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025054431-A1 BENZO-FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF XENON PHARMACEUTICALS INC. (CA) 2025-03-13 WO disclosed
US-11932633-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2024-03-19 US disclosed
US-20230250095-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF TUOJIE BIOTECH(SHANGHAI) CO., LTD. (CN) 2023-08-10 US disclosed
US-20230250095-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF TUOJIE BIOTECH(SHANGHAI) CO., LTD. (CN) 2023-08-10 US disclosed
US-20230250095-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF TUOJIE BIOTECH(SHANGHAI) CO., LTD. (CN) 2023-08-10 US disclosed
EP-4198034-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Tuojie Biotech (Shanghai) Co., Ltd. (CN) 2023-06-21 EP disclosed
EP-4198034-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Tuojie Biotech (Shanghai) Co., Ltd. (CN) 2023-06-21 EP disclosed
CN-115835867-A Benzimidazole derivative, preparation method and medical application thereof 上海拓界生物医药科技有限公司 2023-03-21 CN disclosed
WO-2022033567-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 上海拓界生物医药科技有限公司 2022-02-17 WO disclosed
US-20210380570-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2021-12-09 US disclosed
US-20210380570-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2021-12-09 US disclosed
EP-3790551-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2021-03-17 EP disclosed
WO-2019217307-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2019-11-14 WO disclosed
WO-2019217307-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2019-11-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230250095-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF P2RX7, P2RX3, P2RX5 ALDH1A1 343/4885HSD17B10 2964/4885ALOX15 260/4885
US-20210380570-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS ALDH1A1 3370/4885HSD17B10 3889/4885ALOX15 3532/4885
US-11932633-B2 KRas G12C inhibitors KRAS, NRAS, HRAS ALDH1A1 3370/4885HSD17B10 3889/4885ALOX15 3532/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.